N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine

C15H21F2N — CID 113404860

IUPACN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC1(CNC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-10-8-15(10,9-18-14(2,3)4)11-5-12(16)7-13(17)6-11/h5-7,10,18H,8-9H2,1-4H3
InChIKeyGMFNZFAGKLSBKJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.63
Rot. Bonds3

About N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 113404860) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID113404860
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC1(CNC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2N/c1-10-8-15(10,9-18-14(2,3)4)11-5-12(16)7-13(17)6-11/h5-7,10,18H,8-9H2,1-4H3
InChIKeyGMFNZFAGKLSBKJ-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine (CID 113404860) is N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine is CC1CC1(CNC(C)(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GMFNZFAGKLSBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-10-8-15(10,9-18-14(2,3)4)11-5-12(16)7-13(17)6-11/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113404860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).